1-[3-(2-phenylethynyl)phenyl]hexan-1-one

Systemtic Name: 1-[3-(2-phenylethynyl)phenyl]hexan-1-one Openeye Name: 1-[3-(2-phenylethynyl)phenyl]hexan-1-one CAS Name: 1-[3-(2-phenylethynyl)phenyl]-1-hexanone IUPAC Name: 1-[3-(2-phenylethynyl)phenyl]hexan-1-one Traditional Name: 1-[3-(2-phenylethynyl)phenyl]hexan-1-one Formula: C20H20O MolecularWeight: 276.3722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=CC(=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)C1=CC=CC(=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C20H20O/c1-2-3-5-13-20(21)19-12-8-11-18(16-19)15-14-17-9-6-4-7-10-17/h4,6-12,16H,2-3,5,13H2,1H3